Organooxygen compounds
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4-Trifluoroacetyl-3-methyl-1-phenyl-5-pyrazolone 96.0+%, TCI America™
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CAS: 1691-93-6 Molecular Formula: C12H9F3N2O2 Molecular Weight (g/mol): 270.211 MDL Number: MFCD00143378 InChI Key: XJJDGTPFEFAAMV-UHFFFAOYSA-N Synonym: 3-Methyl-1-phenyl-4-trifluoroacetyl-5-pyrazolone PubChem CID: 781778 IUPAC Name: 5-methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3-one SMILES: CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C(F)(F)F
| PubChem CID | 781778 |
|---|---|
| CAS | 1691-93-6 |
| Molecular Weight (g/mol) | 270.211 |
| MDL Number | MFCD00143378 |
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C(F)(F)F |
| Synonym | 3-Methyl-1-phenyl-4-trifluoroacetyl-5-pyrazolone |
| IUPAC Name | 5-methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3-one |
| InChI Key | XJJDGTPFEFAAMV-UHFFFAOYSA-N |
| Molecular Formula | C12H9F3N2O2 |
3-Propionylpyridine 98.0+%, TCI America™
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CAS: 1570-48-5 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.166 MDL Number: MFCD00023589 InChI Key: VDNKJMUNLKAGAM-UHFFFAOYSA-N Synonym: 3-propionylpyridine,1-3-pyridyl propan-1-one,ethyl 3-pyridyl ketone,1-pyridin-3-yl propan-1-one,3-pyridyl ethyl ketone,1-3-pyridinyl-1-propanone,3-propionyl pyridine,1-pyridin-3-yl-propan-1-one,ethyl pyridin-3-yl ketone,1-propanone, 1-3-pyridinyl PubChem CID: 74074 IUPAC Name: 1-pyridin-3-ylpropan-1-one SMILES: CCC(=O)C1=CN=CC=C1
| PubChem CID | 74074 |
|---|---|
| CAS | 1570-48-5 |
| Molecular Weight (g/mol) | 135.166 |
| MDL Number | MFCD00023589 |
| SMILES | CCC(=O)C1=CN=CC=C1 |
| Synonym | 3-propionylpyridine,1-3-pyridyl propan-1-one,ethyl 3-pyridyl ketone,1-pyridin-3-yl propan-1-one,3-pyridyl ethyl ketone,1-3-pyridinyl-1-propanone,3-propionyl pyridine,1-pyridin-3-yl-propan-1-one,ethyl pyridin-3-yl ketone,1-propanone, 1-3-pyridinyl |
| IUPAC Name | 1-pyridin-3-ylpropan-1-one |
| InChI Key | VDNKJMUNLKAGAM-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO |
5-Norbornene-2,3-dimethanol (mixture of endo- and exo-, predominantly endo-isomer) 95.0+%, TCI America™
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CAS: 85-39-2 Molecular Formula: C9H14O2 Molecular Weight (g/mol): 154.209 InChI Key: IGHHPVIMEQGKNE-UHFFFAOYSA-N Synonym: Bicyclo[2.2.1]hept-5-ene-2,3-dimethanol, 2,3-Bis(hydroxymethyl)-5-norbornene PubChem CID: 97724 IUPAC Name: [3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol SMILES: C1C2C=CC1C(C2CO)CO
| PubChem CID | 97724 |
|---|---|
| CAS | 85-39-2 |
| Molecular Weight (g/mol) | 154.209 |
| SMILES | C1C2C=CC1C(C2CO)CO |
| Synonym | Bicyclo[2.2.1]hept-5-ene-2,3-dimethanol, 2,3-Bis(hydroxymethyl)-5-norbornene |
| IUPAC Name | [3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol |
| InChI Key | IGHHPVIMEQGKNE-UHFFFAOYSA-N |
| Molecular Formula | C9H14O2 |
4,6-Dimethoxysalicylaldehyde 98.0+%, TCI America™
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CAS: 708-76-9 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00003328 InChI Key: FQRQWPNYJOFDLO-UHFFFAOYSA-N Synonym: 4,6-dimethoxysalicylaldehyde,2,4-dimethoxy-6-hydroxybenzaldehyde,4,6-dimethoxy-2-hydroxybenzaldehyde,benzaldehyde, 2-hydroxy-4,6-dimethoxy,2-hydroxy-4,6-bis methyloxy benzaldehyde,4,6-dimethoxysalicylaldehyde 4,6-dimethoxy-2-hydroxybenzaldehyde,pubchem8258,acmc-209ogd,2-formyl-3,5-dimethoxyphenol PubChem CID: 69725 IUPAC Name: 2-hydroxy-4,6-dimethoxybenzaldehyde SMILES: COC1=CC(=C(C(=C1)OC)C=O)O
| PubChem CID | 69725 |
|---|---|
| CAS | 708-76-9 |
| Molecular Weight (g/mol) | 182.175 |
| MDL Number | MFCD00003328 |
| SMILES | COC1=CC(=C(C(=C1)OC)C=O)O |
| Synonym | 4,6-dimethoxysalicylaldehyde,2,4-dimethoxy-6-hydroxybenzaldehyde,4,6-dimethoxy-2-hydroxybenzaldehyde,benzaldehyde, 2-hydroxy-4,6-dimethoxy,2-hydroxy-4,6-bis methyloxy benzaldehyde,4,6-dimethoxysalicylaldehyde 4,6-dimethoxy-2-hydroxybenzaldehyde,pubchem8258,acmc-209ogd,2-formyl-3,5-dimethoxyphenol |
| IUPAC Name | 2-hydroxy-4,6-dimethoxybenzaldehyde |
| InChI Key | FQRQWPNYJOFDLO-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
2-Dodecylhexadecan-1-ol 93.0+%, TCI America™
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CAS: 72388-18-2 Molecular Formula: C28H58O Molecular Weight (g/mol): 410.77 MDL Number: MFCD27665210 InChI Key: DEMBLPGWNXUBIQ-UHFFFAOYNA-N Synonym: 2-Dodecylhexadecyl Alcohol PubChem CID: 3018340 IUPAC Name: 2-dodecylhexadecan-1-ol SMILES: CCCCCCCCCCCCCCC(CO)CCCCCCCCCCCC
| PubChem CID | 3018340 |
|---|---|
| CAS | 72388-18-2 |
| Molecular Weight (g/mol) | 410.77 |
| MDL Number | MFCD27665210 |
| SMILES | CCCCCCCCCCCCCCC(CO)CCCCCCCCCCCC |
| Synonym | 2-Dodecylhexadecyl Alcohol |
| IUPAC Name | 2-dodecylhexadecan-1-ol |
| InChI Key | DEMBLPGWNXUBIQ-UHFFFAOYNA-N |
| Molecular Formula | C28H58O |
4-Cyanophenacyl Bromide 96.0+%, TCI America™
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CAS: 20099-89-2 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.057 MDL Number: MFCD00052931 InChI Key: LJANCPRIUMHGJE-UHFFFAOYSA-N Synonym: 4-2-bromoacetyl benzonitrile,4-cyanophenacyl bromide,4-bromoacetyl benzonitrile,2-bromo-4'-cyanoacetophenone,benzonitrile, 4-bromoacetyl,p-cyanophenacyl bromide,4-2-bromo-acetyl-benzonitrile,4-2-bromoethanoyl benzonitrile,4-2-bromoacetyl benzenecarbonitrile PubChem CID: 98654 IUPAC Name: 4-(2-bromoacetyl)benzonitrile SMILES: C1=CC(=CC=C1C#N)C(=O)CBr
| PubChem CID | 98654 |
|---|---|
| CAS | 20099-89-2 |
| Molecular Weight (g/mol) | 224.057 |
| MDL Number | MFCD00052931 |
| SMILES | C1=CC(=CC=C1C#N)C(=O)CBr |
| Synonym | 4-2-bromoacetyl benzonitrile,4-cyanophenacyl bromide,4-bromoacetyl benzonitrile,2-bromo-4'-cyanoacetophenone,benzonitrile, 4-bromoacetyl,p-cyanophenacyl bromide,4-2-bromo-acetyl-benzonitrile,4-2-bromoethanoyl benzonitrile,4-2-bromoacetyl benzenecarbonitrile |
| IUPAC Name | 4-(2-bromoacetyl)benzonitrile |
| InChI Key | LJANCPRIUMHGJE-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNO |
Diethylene Glycol Divinyl Ether (stabilized with KOH) 98.0+%, TCI America™
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CAS: 764-99-8 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00054610 InChI Key: SAMJGBVVQUEMGC-UHFFFAOYSA-N Synonym: diethylene glycol divinyl ether,divinylcarbitol,dvedeg,dvedeg russian,ether, bis 2-vinyloxy ethyl,ethene, 1,1'-oxybis 2,1-ethanediyloxy bis,3,6,9-trioxaundeca-1,10-diene,unii-abm90y2g95,divinyl ether diethylenglykolu,bis 2-vinyloxy ethyl ether PubChem CID: 12998 IUPAC Name: 1-ethenoxy-2-(2-ethenoxyethoxy)ethane SMILES: C=COCCOCCOC=C
| PubChem CID | 12998 |
|---|---|
| CAS | 764-99-8 |
| Molecular Weight (g/mol) | 158.197 |
| MDL Number | MFCD00054610 |
| SMILES | C=COCCOCCOC=C |
| Synonym | diethylene glycol divinyl ether,divinylcarbitol,dvedeg,dvedeg russian,ether, bis 2-vinyloxy ethyl,ethene, 1,1'-oxybis 2,1-ethanediyloxy bis,3,6,9-trioxaundeca-1,10-diene,unii-abm90y2g95,divinyl ether diethylenglykolu,bis 2-vinyloxy ethyl ether |
| IUPAC Name | 1-ethenoxy-2-(2-ethenoxyethoxy)ethane |
| InChI Key | SAMJGBVVQUEMGC-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
Bis(2,4-pentanedionato)titanium(IV) Oxide, TCI America™
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CAS: 14024-64-7 Molecular Formula: C10H16O5Ti Molecular Weight (g/mol): 264.1 MDL Number: MFCD00013505 InChI Key: ADVORQMAWLEPOI-UHFFFAOYSA-N Synonym: bis acetylacetonato titanium iv oxide,bis 4-hydroxypent-3-en-2-one ; titanium ii oxide PubChem CID: 74765597 IUPAC Name: 4-hydroxypent-3-en-2-one;oxotitanium SMILES: CC(=CC(=O)C)O.CC(=CC(=O)C)O.O=[Ti]
| PubChem CID | 74765597 |
|---|---|
| CAS | 14024-64-7 |
| Molecular Weight (g/mol) | 264.1 |
| MDL Number | MFCD00013505 |
| SMILES | CC(=CC(=O)C)O.CC(=CC(=O)C)O.O=[Ti] |
| Synonym | bis acetylacetonato titanium iv oxide,bis 4-hydroxypent-3-en-2-one ; titanium ii oxide |
| IUPAC Name | 4-hydroxypent-3-en-2-one;oxotitanium |
| InChI Key | ADVORQMAWLEPOI-UHFFFAOYSA-N |
| Molecular Formula | C10H16O5Ti |
Chromone-3-carboxaldehyde 98.0+%, TCI America™
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CAS: 17422-74-1 Molecular Formula: C10H6O3 Molecular Weight (g/mol): 174.155 MDL Number: MFCD00014667 InChI Key: FSMYWBQIMDSGQP-UHFFFAOYSA-N Synonym: chromone-3-carboxaldehyde,3-formylchromone,4-oxo-4h-chromene-3-carbaldehyde,3-chromonecarbaldehyde,4-oxo-4h-1-benzopyran-3-carboxaldehyde,3-formylchromones,4h-1-benzopyran-3-carboxaldehyde, 4-oxo,chembl86905,3-formyl-4-oxo-4h-chromene,chromone-3-carbaldehyde PubChem CID: 87112 IUPAC Name: 4-oxochromene-3-carbaldehyde SMILES: C1=CC=C2C(=C1)C(=O)C(=CO2)C=O
| PubChem CID | 87112 |
|---|---|
| CAS | 17422-74-1 |
| Molecular Weight (g/mol) | 174.155 |
| MDL Number | MFCD00014667 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=CO2)C=O |
| Synonym | chromone-3-carboxaldehyde,3-formylchromone,4-oxo-4h-chromene-3-carbaldehyde,3-chromonecarbaldehyde,4-oxo-4h-1-benzopyran-3-carboxaldehyde,3-formylchromones,4h-1-benzopyran-3-carboxaldehyde, 4-oxo,chembl86905,3-formyl-4-oxo-4h-chromene,chromone-3-carbaldehyde |
| IUPAC Name | 4-oxochromene-3-carbaldehyde |
| InChI Key | FSMYWBQIMDSGQP-UHFFFAOYSA-N |
| Molecular Formula | C10H6O3 |
Pentaethylene Glycol Monododecyl Ether 98.0+%, TCI America™
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CAS: 3055-95-6 Molecular Formula: C22H46O6 Molecular Weight (g/mol): 406.60 MDL Number: MFCD00043064 InChI Key: LAPRIVJANDLWOK-UHFFFAOYSA-N PubChem CID: 18281 IUPAC Name: 3,6,9,12,15-pentaoxaheptacosan-1-ol SMILES: CCCCCCCCCCCCOCCOCCOCCOCCOCCO
| PubChem CID | 18281 |
|---|---|
| CAS | 3055-95-6 |
| Molecular Weight (g/mol) | 406.60 |
| MDL Number | MFCD00043064 |
| SMILES | CCCCCCCCCCCCOCCOCCOCCOCCOCCO |
| IUPAC Name | 3,6,9,12,15-pentaoxaheptacosan-1-ol |
| InChI Key | LAPRIVJANDLWOK-UHFFFAOYSA-N |
| Molecular Formula | C22H46O6 |
1-Phenyl-1-pentanol 98.0+%, TCI America™
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CAS: 583-03-9 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.248 MDL Number: MFCD00021935 InChI Key: OVGORFFCBUIFIA-UHFFFAOYSA-N Synonym: fenipentol,1-phenyl-1-pentanol,1-phenylpentanol,pancoral,phenylbutylcarbinol,suiclisin,alpha-butylbenzyl alcohol,1-pentanol, 1-phenyl,1-phenyl-1-hydroxypentane,ph bc PubChem CID: 3338 IUPAC Name: 1-phenylpentan-1-ol SMILES: CCCCC(C1=CC=CC=C1)O
| PubChem CID | 3338 |
|---|---|
| CAS | 583-03-9 |
| Molecular Weight (g/mol) | 164.248 |
| MDL Number | MFCD00021935 |
| SMILES | CCCCC(C1=CC=CC=C1)O |
| Synonym | fenipentol,1-phenyl-1-pentanol,1-phenylpentanol,pancoral,phenylbutylcarbinol,suiclisin,alpha-butylbenzyl alcohol,1-pentanol, 1-phenyl,1-phenyl-1-hydroxypentane,ph bc |
| IUPAC Name | 1-phenylpentan-1-ol |
| InChI Key | OVGORFFCBUIFIA-UHFFFAOYSA-N |
| Molecular Formula | C11H16O |
1,1-Bis(methylthio)ethylene 90.0+%, TCI America™
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CAS: 51102-74-0 Molecular Formula: C4H8S2 Molecular Weight (g/mol): 120.23 MDL Number: MFCD00191617 InChI Key: GGCGAESAURTGKY-UHFFFAOYSA-N Synonym: Ketene Dimethyl Thioacetal PubChem CID: 142813 IUPAC Name: 1,1-bis(methylsulfanyl)ethene SMILES: CSC(=C)SC
| PubChem CID | 142813 |
|---|---|
| CAS | 51102-74-0 |
| Molecular Weight (g/mol) | 120.23 |
| MDL Number | MFCD00191617 |
| SMILES | CSC(=C)SC |
| Synonym | Ketene Dimethyl Thioacetal |
| IUPAC Name | 1,1-bis(methylsulfanyl)ethene |
| InChI Key | GGCGAESAURTGKY-UHFFFAOYSA-N |
| Molecular Formula | C4H8S2 |
Ethylene Glycol Monopropyl Ether 98.0+%, TCI America™
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CAS: 2807-30-9 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.149 MDL Number: MFCD00072645 InChI Key: YEYKMVJDLWJFOA-UHFFFAOYSA-N Synonym: ethanol, 2-propoxy,ethylene glycol monopropyl ether,propyl cellosolve,propoxyethanol,propyl glycol,2-propoxyethan-1-ol,ektasolve ep,2-propyloxy ethanol,n-propoxyethanol,ethylene glycol mono-n-propyl ether PubChem CID: 17756 IUPAC Name: 2-propoxyethanol SMILES: CCCOCCO
| PubChem CID | 17756 |
|---|---|
| CAS | 2807-30-9 |
| Molecular Weight (g/mol) | 104.149 |
| MDL Number | MFCD00072645 |
| SMILES | CCCOCCO |
| Synonym | ethanol, 2-propoxy,ethylene glycol monopropyl ether,propyl cellosolve,propoxyethanol,propyl glycol,2-propoxyethan-1-ol,ektasolve ep,2-propyloxy ethanol,n-propoxyethanol,ethylene glycol mono-n-propyl ether |
| IUPAC Name | 2-propoxyethanol |
| InChI Key | YEYKMVJDLWJFOA-UHFFFAOYSA-N |
| Molecular Formula | C5H12O2 |
2-(m-Tolyl)ethanol 98.0+%, TCI America™
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CAS: 1875-89-4 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00002896 InChI Key: KWHVBVJDKLSOTB-UHFFFAOYSA-N Synonym: 3-Methylphenethyl Alcohol, 2-(3-Methylphenyl)ethyl Alcohol, 2-(3-Methylphenyl)ethanol PubChem CID: 74648 IUPAC Name: 2-(3-methylphenyl)ethanol SMILES: CC1=CC(=CC=C1)CCO
| PubChem CID | 74648 |
|---|---|
| CAS | 1875-89-4 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00002896 |
| SMILES | CC1=CC(=CC=C1)CCO |
| Synonym | 3-Methylphenethyl Alcohol, 2-(3-Methylphenyl)ethyl Alcohol, 2-(3-Methylphenyl)ethanol |
| IUPAC Name | 2-(3-methylphenyl)ethanol |
| InChI Key | KWHVBVJDKLSOTB-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
Ethyl 3-Ethoxypropionate 99.0+%, TCI America™
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CAS: 763-69-9 Molecular Formula: C7H14O3 Molecular Weight (g/mol): 146.186 MDL Number: MFCD00051356 InChI Key: BHXIWUJLHYHGSJ-UHFFFAOYSA-N Synonym: ethyl 3-ethoxypropionate,3-ethoxypropionic acid ethyl ester,propanoic acid, 3-ethoxy-, ethyl ester,eep solvent,ethoxypropionic acid, ethyl ester,ethyl beta-ethoxypropionate,unii-ec38rsj79j,propionic acid, 3-ethoxy-, ethyl ester,ethyl-3-ethoxypropionate,ethylester kyseliny 3-ethoxypropionove PubChem CID: 12989 IUPAC Name: ethyl 3-ethoxypropanoate SMILES: CCOCCC(=O)OCC
| PubChem CID | 12989 |
|---|---|
| CAS | 763-69-9 |
| Molecular Weight (g/mol) | 146.186 |
| MDL Number | MFCD00051356 |
| SMILES | CCOCCC(=O)OCC |
| Synonym | ethyl 3-ethoxypropionate,3-ethoxypropionic acid ethyl ester,propanoic acid, 3-ethoxy-, ethyl ester,eep solvent,ethoxypropionic acid, ethyl ester,ethyl beta-ethoxypropionate,unii-ec38rsj79j,propionic acid, 3-ethoxy-, ethyl ester,ethyl-3-ethoxypropionate,ethylester kyseliny 3-ethoxypropionove |
| IUPAC Name | ethyl 3-ethoxypropanoate |
| InChI Key | BHXIWUJLHYHGSJ-UHFFFAOYSA-N |
| Molecular Formula | C7H14O3 |